3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(3-oxomorpholin-4-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide

C24H27N5O4 — CID 147308584

IUPAC3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(3-oxomorpholin-4-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4=O)cc3)c2C(N)=O)cc(C)c1O
InChIInChI=1S/C24H27N5O4/c1-14-9-17(10-15(2)22(14)31)12-26-24-21(23(25)32)19(27-28-24)11-16-3-5-18(6-4-16)29-7-8-33-13-20(29)30/h3-6,9-10,31H,7-8,11-13H2,1-2H3,(H2,25,32)(H2,26,27,28)
InChIKeyCXMRSHZUDXVQQS-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.40
Rot. Bonds7

About 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(3-oxomorpholin-4-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide

3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(3-oxomorpholin-4-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 147308584) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(3-oxomorpholin-4-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(3-oxomorpholin-4-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID147308584
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(3-oxomorpholin-4-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4=O)cc3)c2C(N)=O)cc(C)c1O
InChIInChI=1S/C24H27N5O4/c1-14-9-17(10-15(2)22(14)31)12-26-24-21(23(25)32)19(27-28-24)11-16-3-5-18(6-4-16)29-7-8-33-13-20(29)30/h3-6,9-10,31H,7-8,11-13H2,1-2H3,(H2,25,32)(H2,26,27,28)
InChIKeyCXMRSHZUDXVQQS-UHFFFAOYSA-N
XLogP2.40
TPSA133.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide
CID 121410180
5-(3-fluoro-4-morpholin-4-ylanilino)-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 121410161
3-((4-(4-fluoropiperidin-1-yl)phenyl)amino)-5-((4-hydroxy-3,5-dimethylbenzyl)amino)-1H-pyrazole-4-carboxamide
CID 121410178
3-((4-(4-fluorobenzamido)phenyl)amino)-5-((4-hydroxy-3,5-dimethylbenzyl)amino)-1H-pyrazole-4-carboxamide
CID 121410225
3-[(3-ethyl-4-hydroxy-5-methylphenyl)methylamino]-5-[4-[(4-fluorobenzoyl)amino]anilino]-1H-pyrazole-4-carboxamide
CID 145112269
5-[4-[[4-(1-fluoroethyl)benzoyl]amino]anilino]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 145112294
3-[(3-ethyl-4-hydroxy-5-methylphenyl)methylamino]-5-(3-fluoro-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide
CID 146526837
3-[(3-ethyl-4-hydroxy-5-methylphenyl)methylamino]-5-[4-(4-fluoropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide
CID 146527622
5-[[4-(4-fluoropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 146730932
5-[[4-(4-fluoropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 148348112
5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 153226201
5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 157700069

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(3-oxomorpholin-4-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(3-oxomorpholin-4-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide (CID 147308584) is 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(3-oxomorpholin-4-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(3-oxomorpholin-4-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(3-oxomorpholin-4-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide is Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4=O)cc3)c2C(N)=O)cc(C)c1O.
What is the InChIKey of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(3-oxomorpholin-4-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is CXMRSHZUDXVQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-14-9-17(10-15(2)22(14)31)12-26-24-21(23(25)32)19(27-28-24)11-16-3-5-18(6-4-16)29-7-8-33-13-20(29)30/h3-6,9-10,31H,7-8,11-13H2,1-2H3,(H2,25,32)(H2,26,27,28).
What are the key properties of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(3-oxomorpholin-4-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(3-oxomorpholin-4-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 2.40, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(3-oxomorpholin-4-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 147308584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).